3-[(8-methoxyquinolin-5-yl)methyl-methylamino]-N-propan-2-ylpropanamide

C18H25N3O2 — CID 91828636

IUPAC3-[(8-methoxyquinolin-5-yl)methyl-methylamino]-N-propan-2-ylpropanamide
SMILESCOc1ccc(CN(C)CCC(=O)NC(C)C)c2cccnc12
InChIInChI=1S/C18H25N3O2/c1-13(2)20-17(22)9-11-21(3)12-14-7-8-16(23-4)18-15(14)6-5-10-19-18/h5-8,10,13H,9,11-12H2,1-4H3,(H,20,22)
InChIKeyHXQLXSOGQZIDIU-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.59
Rot. Bonds7

About 3-[(8-methoxyquinolin-5-yl)methyl-methylamino]-N-propan-2-ylpropanamide

3-[(8-methoxyquinolin-5-yl)methyl-methylamino]-N-propan-2-ylpropanamide (PubChem CID 91828636) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-[(8-methoxyquinolin-5-yl)methyl-methylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(8-methoxyquinolin-5-yl)methyl-methylamino]-N-propan-2-ylpropanamide
PubChem CID91828636
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name3-[(8-methoxyquinolin-5-yl)methyl-methylamino]-N-propan-2-ylpropanamide
SMILESCOc1ccc(CN(C)CCC(=O)NC(C)C)c2cccnc12
InChIInChI=1S/C18H25N3O2/c1-13(2)20-17(22)9-11-21(3)12-14-7-8-16(23-4)18-15(14)6-5-10-19-18/h5-8,10,13H,9,11-12H2,1-4H3,(H,20,22)
InChIKeyHXQLXSOGQZIDIU-UHFFFAOYSA-N
XLogP2.59
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(8-methoxyquinolin-5-yl)methyl]-1-methyl-3-[(2S)-2-methylbutyl]urea
CID 126435880
N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-1-propan-2-ylpyrazole-4-carboxamide
CID 70730340
2-[[8-(methoxymethoxy)quinolin-5-yl]methyl-methylamino]acetic acid
CID 68660527
N-[(8-methoxyquinolin-5-yl)methyl]hydroxylamine
CID 117292523
3-(1-cyclohexylcyclopropyl)-1-[(8-methoxyquinolin-5-yl)methyl]-1-methylurea
CID 122568329
[5-[[ethyl(methyl)amino]methyl]quinolin-8-yl] piperidine-1-carboxylate
CID 91346957
1-(8-methoxyquinolin-5-yl)-N-methylmethanamine
CID 16640560
N-(8-methoxyquinolin-5-yl)-3-methylbutanamide
CID 26823099
2-(6-amino-3-pyridinyl)-2-[(8-methoxyquinolin-5-yl)methyl-methylamino]acetic acid
CID 72881160
2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylethanamine
CID 91838572
methyl 2-[8-(2-methylpropoxy)quinolin-5-yl]acetate
CID 96709843
(2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylacetamide
CID 97156555

Frequently Asked Questions

What is the IUPAC name of 3-[(8-methoxyquinolin-5-yl)methyl-methylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[(8-methoxyquinolin-5-yl)methyl-methylamino]-N-propan-2-ylpropanamide (CID 91828636) is 3-[(8-methoxyquinolin-5-yl)methyl-methylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[(8-methoxyquinolin-5-yl)methyl-methylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[(8-methoxyquinolin-5-yl)methyl-methylamino]-N-propan-2-ylpropanamide is COc1ccc(CN(C)CCC(=O)NC(C)C)c2cccnc12.
What is the InChIKey of 3-[(8-methoxyquinolin-5-yl)methyl-methylamino]-N-propan-2-ylpropanamide?
The InChIKey is HXQLXSOGQZIDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13(2)20-17(22)9-11-21(3)12-14-7-8-16(23-4)18-15(14)6-5-10-19-18/h5-8,10,13H,9,11-12H2,1-4H3,(H,20,22).
What are the key properties of 3-[(8-methoxyquinolin-5-yl)methyl-methylamino]-N-propan-2-ylpropanamide?
3-[(8-methoxyquinolin-5-yl)methyl-methylamino]-N-propan-2-ylpropanamide has a molecular weight of 315.42 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8-methoxyquinolin-5-yl)methyl-methylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 91828636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).